3-Nitro-alpha-(para-tolyl)cinnamonitrile
TL;DR: 3-Nitro-alpha-(para-tolyl)cinnamonitrile (CAS 86710-08-9) is a chemical compound with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enenitrile
Also Known As: Maybridge1_005668, NCIStruc1_000869, NCIStruc2_001786, DivK1c_001956, CDS1_000916
| Molecular Formula | C16H12N2O2 |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.08987 |
| Heavy Atoms | 20 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 86710-08-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C#N |
| InChIKey | PJJARSYRNWSUPJ-UHFFFAOYSA-N |
Product Overview
3-Nitro-alpha-(para-tolyl)cinnamonitrile (CAS 86710-08-9), with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol. IUPAC: 2-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of 3-Nitro-alpha-(para-tolyl)cinnamonitrile
Property Insights of 3-Nitro-alpha-(para-tolyl)cinnamonitrile
The XLogP value of 3.9 indicates that 3-Nitro-alpha-(para-tolyl)cinnamonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-alpha-(para-tolyl)cinnamonitrile. Following Lipinski's Rule of Five, 3-Nitro-alpha-(para-tolyl)cinnamonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Nitro-alpha-(para-tolyl)cinnamonitrile?
The CAS number of 3-Nitro-alpha-(para-tolyl)cinnamonitrile is 86710-08-9.
What is the molecular formula of 3-Nitro-alpha-(para-tolyl)cinnamonitrile?
The molecular formula of 3-Nitro-alpha-(para-tolyl)cinnamonitrile is C16H12N2O2.
What is the molecular weight of 3-Nitro-alpha-(para-tolyl)cinnamonitrile?
The molecular weight of 3-Nitro-alpha-(para-tolyl)cinnamonitrile is 264.09 g/mol.
Where can I buy 3-Nitro-alpha-(para-tolyl)cinnamonitrile?
You can request a quote for 3-Nitro-alpha-(para-tolyl)cinnamonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-alpha-(para-tolyl)cinnamonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-alpha-(para-tolyl)cinnamonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.